N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide

C12H23NO2 — CID 103899591

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C12H23NO2/c1-10(2)8-11(15)13-9-12(3,4)6-5-7-14/h8,14H,5-7,9H2,1-4H3,(H,13,15)
InChIKeyFDHAXCDVDRIXMJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide

N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide (PubChem CID 103899591) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide
PubChem CID103899591
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCC(C)(C)CCCO
InChIInChI=1S/C12H23NO2/c1-10(2)8-11(15)13-9-12(3,4)6-5-7-14/h8,14H,5-7,9H2,1-4H3,(H,13,15)
InChIKeyFDHAXCDVDRIXMJ-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-2-methylprop-2-enamide
CID 11829900
(E)-N-(5-hydroxypentyl)but-2-enamide
CID 13877305
(Z)-N-(5-hydroxypentyl)but-2-enamide
CID 140174163
3-hydroxy-N-(5-hydroxypentyl)but-2-enamide
CID 140606074
N-(5-hydroxy-2,2,4,4-tetramethylpentyl)-3-methylbut-3-enamide
CID 168958690
N-(5-hydroxy-4-methylpentyl)-2-methylprop-2-enamide
CID 174385019
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbut-2-enamide
CID 61245733
N-(2-ethyl-4-hydroxybutyl)-3-methylbut-2-enamide
CID 80308947
N-(1-hydroxy-4-methylpentan-3-yl)-3-methylbut-2-enamide
CID 103751125
N-(2-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 103771061
N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
CID 103772022
N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbut-2-enamide
CID 103772974

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide (CID 103899591) is N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCC(C)(C)CCCO.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide?
The InChIKey is FDHAXCDVDRIXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-11(15)13-9-12(3,4)6-5-7-14/h8,14H,5-7,9H2,1-4H3,(H,13,15).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbut-2-enamide is sourced from PubChem (CID 103899591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).